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4-Mercapto-4-methyl-2-pentanol

4-Mercapto-4-methyl-2-pentanol structure

CAS No:
31539-84-1
Formula:
C6H14OS
Chemical Name:
4-Mercapto-4-methyl-2-pentanol
Synonyms:
2-Pentanol,4-mercapto-4-methyl-;4-Mercapto-4-methyl-2-pentanol;4-Sulfanyl-4-methylpentan-2-ol
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Clear, colorless to pale yellow liquid; floral, fruity aroma.

Clear, colourless to pale yellow liquid; Floral, fruity aroma

4-Mercapto-4-methyl-2-pentanol Basic Attributes

Molecular Weight：

134.237

Exact Mass：

134.24

HScode：

2930909090

Characteristics

PSA：

21.2

XLogP3：

1.46570

Density：

0.961g/cm3

Boiling Point：

40℃/0.6mm

Flash Point：

70°(158°F)

Refractive Index：

1.473

Water Solubility：

3939 mg/L @ 25 °C (est)|Soluble in water|Soluble (in ethanol)

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Mercapto-4-methyl-2-pentanol Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:134.24
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:134.07653624
Monoisotopic Mass:134.07653624
Topological Polar Surface Area:21.2
Heavy Atom Count:8
Complexity:70.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Mercapto-4-methyl-2-pentanol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

4-Mercapto-4-methyl-2-pentanol

SDS

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